CID 139594391

Hopas n=5 m=20

Structural Information

Molecular Formula
C50H81F21O20
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C50H81F21O20/c51-41(52,42(53,54)43(55,56)44(57,58)45(59,60)46(61,62)47(63,64)48(65,66)49(67,68)50(69,70)71)1-3-73-5-7-75-9-11-77-13-15-79-17-19-81-21-23-83-25-27-85-29-31-87-33-35-89-37-39-91-40-38-90-36-34-88-32-30-86-28-26-84-24-22-82-20-18-80-16-14-78-12-10-76-8-6-74-4-2-72/h72H,1-40H2
InChIKey
BOWLCVGAHIOPLG-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1400.4985 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1401.5058 344.4
[M+Na]+ 1423.4877 335.1
[M-H]- 1399.4912 349.5
[M+NH4]+ 1418.5323 362.5
[M+K]+ 1439.4617 356.3
[M+H-H2O]+ 1383.4958 329.8
[M+HCOO]- 1445.4967 346.3
[M+CH3COO]- 1459.5124 334.5
[M+Na-2H]- 1421.4732 324.3
[M]+ 1400.4980 360.6
[M]- 1400.4990 360.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.